CID 3049070

Brn 0827785

Structural Information

Molecular Formula
C13H13ClN4O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)C(=O)NC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C13H13ClN4O3/c1-17-10(15)9(12(20)18(2)13(17)21)11(19)16-8-5-3-7(14)4-6-8/h3-6H,15H2,1-2H3,(H,16,19)
InChIKey
UUDQUHCPVPNUQG-UHFFFAOYSA-N
Compound name
4-amino-N-(4-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.06763 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07491 167.7
[M+Na]+ 331.05685 179.5
[M-H]- 307.06035 173.0
[M+NH4]+ 326.10145 180.7
[M+K]+ 347.03079 174.1
[M+H-H2O]+ 291.06489 159.7
[M+HCOO]- 353.06583 186.6
[M+CH3COO]- 367.08148 209.3
[M+Na-2H]- 329.04230 170.0
[M]+ 308.06708 171.0
[M]- 308.06818 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.